[(3S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[(3S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
[(3S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S979-0351 |
| Compound Name: | [(3S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C21 H25 N3 O3 S |
| Smiles: | Cc1c(C(N2Cc3cc(ccc3OC[C@@H]2C)C(N2CCCC2)=O)=O)sc(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 3.0056 |
| logD: | 3.0055 |
| logSw: | -3.1374 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.017 |
| InChI Key: | ALCDDTVTMSRLAR-ZDUSSCGKSA-N |